• 文献标题:   Van der Waals stacks of few-layer h-AlN with graphene: an ab initio study of structural, interaction and electronic properties
  • 文献类型:   Article
  • 作  者:   DOS SANTOS RB, MOTA FD, RIVELINO R, KAKANAKOVAGEORGIEVA A, GUEORGUIEV GK
  • 作者关键词:   2d materials beyond graphene, layered groupiii nitride, hexagonal aln, van der waals stack, density functional theory
  • 出版物名称:   NANOTECHNOLOGY
  • ISSN:   0957-4484 EI 1361-6528
  • 通讯作者地址:   Linkoping Univ
  • 被引频次:   47
  • DOI:   10.1088/0957-4484/27/14/145601
  • 出版年:   2016

▎ 摘  要

Graphite-like hexagonal AlN (h-AlN) multilayers have been experimentally manifested and theoretically modeled. The development of any functional electronics applications of h-AlN would most certainly require its integration with other layered materials, particularly graphene. Here, by employing vdW-corrected density functional theory calculations, we investigate structure, interaction energy, and electronic properties of van der Waals stacking sequences of few-layer h-AlN with graphene. We find that the presence of a template such as graphene induces enough interlayer charge separation in h-AlN, favoring a graphite-like stacking formation. We also find that the interface dipole, calculated per unit cell of the stacks, tends to increase with the number of stacked layers of h-AlN and graphene.